5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine

C60H47ClN2 — CID 121361263

IUPAC5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(Cl)cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C60H47ClN2/c1-59(2)53-27-15-11-25-49(53)51-33-31-43(38-55(51)59)62(57-29-17-13-23-47(57)40-19-7-5-8-20-40)45-35-42(61)36-46(37-45)63(58-30-18-14-24-48(58)41-21-9-6-10-22-41)44-32-34-52-50-26-12-16-28-54(50)60(3,4)56(52)39-44/h5-39H,1-4H3
InChIKeyOBNDOSKROBTPHV-UHFFFAOYSA-N
MW831.50 g/mol
LogP17.23
Rot. Bonds8

About 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine

5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 121361263) has the molecular formula C60H47ClN2 and a molecular weight of 831.50 g/mol. Its IUPAC name is 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
PubChem CID121361263
Molecular FormulaC60H47ClN2
Molecular Weight831.50 g/mol
Exact Mass830.34
IUPAC Name5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(Cl)cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C60H47ClN2/c1-59(2)53-27-15-11-25-49(53)51-33-31-43(38-55(51)59)62(57-29-17-13-23-47(57)40-19-7-5-8-20-40)45-35-42(61)36-46(37-45)63(58-30-18-14-24-48(58)41-21-9-6-10-22-41)44-32-34-52-50-26-12-16-28-54(50)60(3,4)56(52)39-44/h5-39H,1-4H3
InChIKeyOBNDOSKROBTPHV-UHFFFAOYSA-N
XLogP17.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.50
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286692
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine (CID 121361263) is 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cc(Cl)cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The InChIKey is OBNDOSKROBTPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47ClN2/c1-59(2)53-27-15-11-25-49(53)51-33-31-43(38-55(51)59)62(57-29-17-13-23-47(57)40-19-7-5-8-20-40)45-35-42(61)36-46(37-45)63(58-30-18-14-24-48(58)41-21-9-6-10-22-41)44-32-34-52-50-26-12-16-28-54(50)60(3,4)56(52)39-44/h5-39H,1-4H3.
What are the key properties of 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 831.50 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 121361263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).